N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine

C32H37N7O2 — CID 67177029

About N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine

N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine (PubChem CID 67177029) has the molecular formula C32H37N7O2 and a molecular weight of 551.70 g/mol. Its IUPAC name is N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine
• PubChem CID: 67177029
• Molecular Formula: C32H37N7O2
• Molecular Weight: 551.70 g/mol
• Exact Mass: 551.30
• IUPAC Name: N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine
• SMILES: CC(C)N1CCc2c(nc(-c3ccc(Nc4nccc(OCc5ccccc5)n4)cc3)nc2N2CCOCC2C)C1
• InChI: InChI=1S/C32H37N7O2/c1-22(2)38-16-14-27-28(19-38)35-30(37-31(27)39-17-18-40-20-23(39)3)25-9-11-26(12-10-25)34-32-33-15-13-29(36-32)41-21-24-7-5-4-6-8-24/h4-13,15,22-23H,14,16-21H2,1-3H3,(H,33,34,36)
• InChIKey: JGWLEPZQCBNTSE-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 88.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.70
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine?

The IUPAC name of N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine (CID 67177029) is N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine.

What is the SMILES notation for N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine?

The canonical SMILES for N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine is CC(C)N1CCc2c(nc(-c3ccc(Nc4nccc(OCc5ccccc5)n4)cc3)nc2N2CCOCC2C)C1.

What is the InChIKey of N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine?

The InChIKey is JGWLEPZQCBNTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O2/c1-22(2)38-16-14-27-28(19-38)35-30(37-31(27)39-17-18-40-20-23(39)3)25-9-11-26(12-10-25)34-32-33-15-13-29(36-32)41-21-24-7-5-4-6-8-24/h4-13,15,22-23H,14,16-21H2,1-3H3,(H,33,34,36).

What are the key properties of N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine?

N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine has a molecular weight of 551.70 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(3-methylmorpholin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-4-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 67177029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).